2-methoxy-3-[5-oxidanylidene-1-(4-propylsulfonyloxyphenyl)pyrrolidin-3-yl]benzoic acid

Systemtic Name: 2-methoxy-3-[5-oxidanylidene-1-(4-propylsulfonyloxyphenyl)pyrrolidin-3-yl]benzoic acid Openeye Name: 2-methoxy-3-[5-oxo-1-(4-propylsulfonyloxyphenyl)pyrrolidin-3-yl]benzoic acid CAS Name: 2-methoxy-3-[5-oxo-1-(4-propylsulfonyloxyphenyl)-3-pyrrolidinyl]benzoic acid IUPAC Name: 2-methoxy-3-[5-oxo-1-(4-propylsulfonyloxyphenyl)pyrrolidin-3-yl]benzoic acid Traditional Name: 3-[5-keto-1-(4-propylsulfonyloxyphenyl)pyrrolidin-3-yl]-2-methoxy-benzoic acid Formula: C21H23NO7S MolecularWeight: 433.47482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=CC=C(C=C1)N2CC(CC2=O)C3=CC=CC(=C3OC)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)OC1=CC=C(C=C1)N2CC(CC2=O)C3=CC=CC(=C3OC)C(=O)O

InChI

InChI=1S/C21H23NO7S/c1-3-11-30(26,27)29-16-9-7-15(8-10-16)22-13-14(12-19(22)23)17-5-4-6-18(21(24)25)20(17)28-2/h4-10,14H,3,11-13H2,1-2H3,(H,24,25)